smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)Oc1ncnc([N-]c2cc(Cl)ccc2Cl)c1[N+](=O)[O-]	ZINC000040646600	213363813	/nfs/dbraw/zinc/36/38/13/213363813.db2.gz	PPNZVMLJFVXPNJ-UHFFFAOYSA-N	-1	1	343.170	4.222	10	5		EIBEMM
CC(C)Oc1ncnc([N-]c2cccc(Cl)c2Cl)c1[N+](=O)[O-]	ZINC000040646730	213363509	/nfs/dbraw/zinc/36/35/09/213363509.db2.gz	LNZCTGWLOMYWOU-UHFFFAOYSA-N	-1	1	343.170	4.222	10	5		EIBEMM
Cc1ccc(S(=O)(=O)[N-]c2ccnc3c4ccccc4ccc23)cc1	ZINC000040384323	213294539	/nfs/dbraw/zinc/29/45/39/213294539.db2.gz	GMSJNJCJSPYKRF-UHFFFAOYSA-N	-1	1	348.427	4.497	10	5		EIBEMM
O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1Oc1ccccc1[O-]	ZINC000065742969	564134405	/nfs/dbraw/zinc/13/44/05/564134405.db2.gz	BULXAFQDQFCERH-UHFFFAOYSA-N	-1	1	335.315	4.324	10	5	in-vitro	EIBEMM
CC(C)(C)c1ccc(-c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]2)cc1	ZINC000072237696	216075990	/nfs/dbraw/zinc/07/59/90/216075990.db2.gz	GYENVJPBDOVBHS-UHFFFAOYSA-N	-1	1	338.367	4.050	10	5		EIBEMM
CC(C)(C)c1ccc(-c2n[nH]c(-c3ccc([O-])c([N+](=O)[O-])c3)n2)cc1	ZINC000072237696	216075992	/nfs/dbraw/zinc/07/59/92/216075992.db2.gz	GYENVJPBDOVBHS-UHFFFAOYSA-N	-1	1	338.367	4.050	10	5		EIBEMM
O=[N+]([O-])c1c([N-]c2ccccc2F)ncnc1Oc1ccccc1	ZINC000040627702	213360699	/nfs/dbraw/zinc/36/06/99/213360699.db2.gz	JJBJIUVWKMIQBV-UHFFFAOYSA-N	-1	1	326.287	4.060	10	5		EIBEMM
O=[N+]([O-])c1c([N-]c2ccc(F)cc2F)ncnc1Oc1ccccc1	ZINC000040659737	213365780	/nfs/dbraw/zinc/36/57/80/213365780.db2.gz	PVEPTUYFSNGVDW-UHFFFAOYSA-N	-1	1	344.277	4.199	10	5		EIBEMM
CC(C)c1ccc(Oc2[n-]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])cc1	ZINC000040611066	213358321	/nfs/dbraw/zinc/35/83/21/213358321.db2.gz	BXYHBHHYEVTGSD-UHFFFAOYSA-N	-1	1	345.403	4.016	10	5		EIBEMM